Methodology Report

Development of a Novel Bioinformatics Tool for In Silico Validation of Protein Interactions

Table 2

Example of a center of bond enlargement. The columns show the amino acid one-letter code, the residues coordinates, the status of proximity with respect to the pattern chain in the complex, the status of hydropathy (1 hydrophobic, 0 hydrophilic) and the secondary structure (H = alpha chain; L = loop) of every amino acid around a center of bond. The center of bond is represented by the amino acids within the bold lines (i.e., S and N); the grey-highlighted rows are the results of the symmetrical enlargement due to hydropathy, while the amino acid reported in italic (V) are grouped because of its proximity to the opposite chain.

Amino acidPositionProximityHydropathySec.Struct.

V4601
F4701
V4811H
P4900H
K5000L
S5100L
N5200L
R5300L
K5400L
V5501
I5601